2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propane-1,3-diol

Systemtic Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propane-1,3-diol Openeye Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propane-1,3-diol CAS Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propane-1,3-diol IUPAC Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propane-1,3-diol Traditional Name: 2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propane-1,3-diol Formula: C15H24NO4+ MolecularWeight: 282.35536

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1)OC)OC)C(CO)CO

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1)OC)OC)C(CO)CO

InChI

InChI=1S/C15H24NO4/c1-16(13(9-17)10-18)5-4-11-6-14(19-2)15(20-3)7-12(11)8-16/h6-7,13,17-18H,4-5,8-10H2,1-3H3/q+1